Andrew Shyichuk

(deleted)

I've had this bug today with Elk 10.6.2 and libXC 6.2.2. The fact that Yuri had this with libxc 7.0.0 is peculiar. Anyway, I applied a dirty hack of removing the abusing subroutines completely, and at least it compiled. Consider the modified file with the parts commented out.

I've had this bug today with Elk 10.6.2 and libXC 6.2.2. The fact that Yuri had this with libxc 7.0.0 is peculiar. Anyway, I applied a dirty hack of removing the abusing subroutines completely, and at least it compiled. Consider the modified file with the parts commented out.

Dear Youzhao, Your make.ink simply disables LibXC, as the "SRC_LIBXC = libxcifc_stub.f90" line is not commented out (is active).

Dear Jerry, I've skipped the hr part for now. Other than that yes, it does work.

Dear Kay, Got the code, works wonders. Thanks!

Dear users, I am using this old Wannier90 thread for a new question. Namely, elk does not produce UNK00001.1 file and that makes plotting with Wannier90 impossible. Is there a reason for that, and how can this be implemented? Thank you

Dear Developers, I've noticed that the xlwin=[xlwin,str] line in readinput.f90 does not work, at least with some compilers. The produced array of lines contains gibberish and the line read last that ends up in the first element. My compiler is Intel 2022.1.0 and Elk is 9.2.12. My fix is a primitive one that works :) I created the additional xxlwin in modw90.f90, and in readinput.f90 the respective case reads: case('xlwin','wannierExtra') if (allocated(xlwin)) deallocate(xlwin) if (allocated(xxlwin))...